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AURORAFEINCHEMIE-ZINC02431920

 MMsINC code: MMs00453468
Type: Neutral
Formula: C14H20N2O3
SMILES:   OC(=O)C(NC(=O)NC(C)c1ccccc1)C(C)C
InChI:   InChI=1/C14H20N2O3/c1-9(2)12(13(17)18)16-14(19)15-10(3)11-7-5-4-6-8-11/h4-10,12H,1-3H3,(H,17,18)(H2,15,16,19)/t10-,12+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.1718 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.325 g/mol  logS: -2.42603  SlogP: 2.2515  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0969698  Sterimol/B1: 2.39618  Sterimol/B2: 3.43312  Sterimol/B3: 3.53008
  Sterimol/B4: 6.4139  Sterimol/L: 14.5914 
 
 Surface and Volume Properties
  Accessible surface: 503.117  Positive charged surface: 310.263  Negative charged surface: 192.854  Volume: 262.5
  Hydrophobic surface: 325.199  Hydrophilic surface: 177.918
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00453469
AURORAFEINCHEMIE-ZINC02431920